Geometry & MOs

Info

ID:	448872
PubChem CID:	135294186
Reduced:	PN2O4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	165.15175
ΔH_f, kcal/mol:	-166.71
Dipole, Da:	7.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756609
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylcyclohexen-1-yl)prop-1-en-1-amine

Drug info:

PubChemData

Smile

C/C=C\C(=C(\C1=C(C=C(C=C1)N(C)C)N(CCCC(=O)O)C(C)C)/[P+](=O)O)\C

DOS

IR

Vibrations